Compound Detail
CHEMBL1160299
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Basic Information
| ChEMBL ID | CHEMBL1160299 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YLVXPXINUWURSG-ZETCQYMHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
188.1
MW (Da)
0.86
ALogP
2
HBA
3
HBD
77.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mandelate racemase CHEMBL4739 | Ki | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mandelate racemase | Ki | = | 1100.0 | nM | 5.96 | Inhibition constant against Mandelate racemase from Pseudomonas putida at pH 7.5 | 12781191 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12781191 | 10.1016/s0960-894x(03)00311-1 | No relevant target | 1 |
| 12781191 | 10.1016/s0960-894x(03)00311-1 | Mandelate racemase | 1 |
Data from ChEMBL 36 via Core Engine